⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3004597 | 0.81 | PNMT (0.32) | — | |
| SCHEMBL3004504 | 0.76 | — | — | |
| SCHEMBL12636628 | 0.76 | PNMT (0.31) | — | |
| SCHEMBL12636623 | 0.76 | HTR2A (0.30) | — | |
| SCHEMBL12872098 | 0.73 | — | — | |
| SCHEMBL2992619 | 0.64 | PNMT (0.33) | — | |
| SCHEMBL12636697 | 0.62 | HTR2C (0.36) | — | |
| SCHEMBL2989319 | 0.62 | PNMT (0.34) | — | |
| SCHEMBL2994722 | 0.60 | HTR2C (0.33) | — | |
| SCHEMBL1182242 | 0.60 | HTR2C (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1778243-B1 | SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS | ATHERSYS INC (US) | 2012-10-31 | — | — | EP | disclosed |
| EP-1778243-B1 | SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS | ATHERSYS INC (US) | 2012-10-31 | — | — | EP | disclosed |
| US-20100190772-A1 | Substituted Azepine Derivatives As Serotonin Receptor Modulators | BENNANI YOUSSEF L | 2010-07-29 | — | — | US | disclosed |
| US-20100190772-A1 | Substituted Azepine Derivatives As Serotonin Receptor Modulators | BENNANI YOUSSEF L | 2010-07-29 | — | — | US | disclosed |
| US-20100190772-A1 | Substituted Azepine Derivatives As Serotonin Receptor Modulators | BENNANI YOUSSEF L | 2010-07-29 | — | — | US | disclosed |
| US-7718647-B2 | Substituted azepine derivatives as serotonin receptor modulators | ATHERSYS, INC. (US) | 2010-05-18 | — | — | US | disclosed |
| US-7718647-B2 | Substituted azepine derivatives as serotonin receptor modulators | ATHERSYS, INC. (US) | 2010-05-18 | — | — | US | disclosed |
| US-7718647-B2 | Substituted azepine derivatives as serotonin receptor modulators | ATHERSYS, INC. (US) | 2010-05-18 | — | — | US | disclosed |
| US-20060003990-A1 | Substituted azepine derivatives as serotonin receptor modulators | ATHERSYS, INC. | 2006-01-05 | — | — | US | disclosed |